Detailed information for compound 1803205

Basic information

Technical information
  • TDR Targets ID: 1803205
  • Name: (2S)-2-methanesulfonamido-N-[2-(3-methoxy-4-p ent-2-ynoxyphenyl)ethyl]-4-methylpentanamide
  • MW: 424.554 | Formula: C21H32N2O5S
  • H donors: 2 H acceptors: 3 LogP: 3.36 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC#CCOc1ccc(cc1OC)CCNC(=O)[C@@H](NS(=O)(=O)C)CC(C)C
  • InChi: 1S/C21H32N2O5S/c1-6-7-8-13-28-19-10-9-17(15-20(19)27-4)11-12-22-21(24)18(14-16(2)3)23-29(5,25)26/h9-10,15-16,18,23H,6,11-14H2,1-5H3,(H,22,24)/t18-/m0/s1
  • InChiKey: NOWTUEYUWFJAIN-SFHVURJKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-methanesulfonamido-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-4-methyl-pentanamide
  • (2S)-2-methanesulfonamido-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-4-methyl-valeramide
  • (2S)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-4-methyl-2-(methylsulfonylamino)pentanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi diacylglycerol kinase, putative 0.0048 0.0268 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0048 0.0268 0.5
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0048 0.0268 0.0268
Loa Loa (eye worm) diacylglycerol kinase 2 0.0048 0.0268 0.0268
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0048 0.0268 0.5
Schistosoma mansoni tyrosine kinase 0.0333 0.259 0.2386
Loa Loa (eye worm) hypothetical protein 0.0048 0.0268 0.0268
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0201 0.1513 0.1513
Echinococcus multilocularis epidermal growth factor receptor 0.0628 0.499 0.499
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0048 0.0268 0.0268
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0048 0.0268 0.5
Echinococcus multilocularis insulin receptor 0.0201 0.1513 0.1513
Echinococcus granulosus ceramide kinase 0.0048 0.0268 0.0268
Echinococcus multilocularis 0.0194 0.1455 0.1455
Echinococcus granulosus epidermal growth factor receptor 0.0338 0.2626 0.2626
Trichomonas vaginalis sphingosine kinase, putative 0.0048 0.0268 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0164 0.1205 0.1985
Plasmodium falciparum diacylglycerol kinase, putative 0.0048 0.0268 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0048 0.0268 0.5
Schistosoma mansoni tyrosine kinase 0.0628 0.499 0.4853
Loa Loa (eye worm) TK/INSR protein kinase 0.0201 0.1513 0.1513
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0268 0.5
Echinococcus multilocularis sphingosine kinase 1 0.1243 1 1
Toxoplasma gondii diacylglycerol kinase, putative 0.0048 0.0268 0.5
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0048 0.0268 0.0268
Leishmania major sphingosine kinase A, B, putative 0.0048 0.0268 0.5
Trypanosoma cruzi Sphingosine kinase 0.0048 0.0268 0.5
Entamoeba histolytica hypothetical protein, conserved 0.1243 1 1
Trichomonas vaginalis diacylglycerol kinase, putative 0.0048 0.0268 0.5
Trypanosoma cruzi Sphingosine kinase 0.0048 0.0268 0.5
Trypanosoma brucei diacylglycerol kinase, putative 0.0048 0.0268 0.5
Schistosoma mansoni tyrosine kinase 0.0338 0.2626 0.2423
Loa Loa (eye worm) hypothetical protein 0.1243 1 1
Echinococcus granulosus Diacylglycerol kinase zeta 0.0048 0.0268 0.0268
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0048 0.0268 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0268 0.0268
Trichomonas vaginalis diacylglycerol kinase, putative 0.0048 0.0268 0.5
Echinococcus multilocularis ceramide kinase 0.0048 0.0268 0.0268
Schistosoma mansoni sphingosine kinase A B 0.1243 1 1
Trichomonas vaginalis bmru protein, putative 0.0048 0.0268 0.5
Trichomonas vaginalis bmru protein, putative 0.0048 0.0268 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0268 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0048 0.0268 0.5
Loa Loa (eye worm) TK/EGFR protein kinase 0.0628 0.499 0.499
Schistosoma mansoni tyrosine kinase 0.0333 0.259 0.2386
Mycobacterium ulcerans hypothetical protein 0.1243 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0164 0.1205 0.1205
Leishmania major hypothetical protein, conserved 0.0048 0.0268 0.5
Trypanosoma brucei Sphingosine kinase 0.0048 0.0268 0.5
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0048 0.0268 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0268 0.0268
Onchocerca volvulus Tyrosine kinase homolog 0.0153 0.1119 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0201 0.1513 0.1513
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0048 0.0268 0.0268
Schistosoma mansoni tyrosine kinase 0.0338 0.2626 0.2423
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0048 0.0268 0.5
Leishmania major diacylglycerol kinase-like protein 0.0048 0.0268 0.5
Echinococcus granulosus Diacylglycerol kinase theta 0.0048 0.0268 0.0268
Schistosoma mansoni sphingoid long chain base kinase 0.1243 1 1
Leishmania major diacylglycerol kinase, putative 0.0048 0.0268 0.5
Schistosoma mansoni tyrosine kinase 0.0201 0.1513 0.128
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0048 0.0268 0.5
Brugia malayi Protein kinase domain containing protein 0.0201 0.1513 0.2638
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0048 0.0268 0.5
Echinococcus granulosus insulin receptor 0.0201 0.1513 0.1513
Leishmania major hypothetical protein, conserved 0.0048 0.0268 0.5
Loa Loa (eye worm) ceramide kinase 0.0048 0.0268 0.0268
Onchocerca volvulus 0.0146 0.1063 0.9334
Plasmodium vivax diacylglycerol kinase, putative 0.0048 0.0268 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0048 0.0268 0.5
Schistosoma mansoni tyrosine kinase 0.0333 0.259 0.2386
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0048 0.0268 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0338 0.2626 0.2626
Trichomonas vaginalis sphingosine kinase, putative 0.0048 0.0268 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0048 0.0268 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0628 0.499 1
Mycobacterium tuberculosis Conserved protein 0.1243 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0338 0.2626 0.2626
Echinococcus granulosus epidermal growth factor receptor 0.0628 0.499 0.499
Schistosoma mansoni tyrosine kinase 0.0201 0.1513 0.128
Echinococcus multilocularis Diacylglycerol kinase theta 0.0048 0.0268 0.0268

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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